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Basic Research on Electronic Structure Theory in Magnetic Highly-Correlated Electron Systems

Research Project

Project/Area Number 15540352
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionKyoto Sangyo University

Principal Investigator

YAMAGAMI Hiroshi  Kyoto Sangyo University, Faculty of Science, Professor, 理学部, 教授 (20239867)

Project Period (FY) 2003 – 2005
Project Status Completed (Fiscal Year 2005)
Budget Amount *help
¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 2005: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2004: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2003: ¥1,300,000 (Direct Cost: ¥1,300,000)
KeywordsHighly Correlated Electron System / Electronic Structure / Band Theory / 磁性 / f電子系化合物 / フェルミ面 / 磁気モーメント / 相対論
Research Abstract

A renewed results related with electronic structure research on some transuranium compounds, especially their Fermi surfaces, were obtained :
1.The Fermi surface and the magnetic moment in an antiferromagnet NpRhGa_5 were calculated using a relativistic spin-polarized band theory including an orbital polarization effect. This material has HoGoGa_5-type crystal structure, and the magnetic moments in the ground state are arranged along the [110] direction with a propagation vector q=[0,0,1/2]. It turned out that the shape of the Fermi surface obtained from the calculations well explains the angular dependence of the frequency branches measured by the de Haas-van Alphen (dHvA) effect. Moreover, the magnitude of the magnetic moment at the Np site is in agreement with the observed value by neutron scattering. It became clear from these calculated results to characterize the 5 f electrons of NpRhGa_5 as an itinerant magnetic electron.
2.We investigated whether the same character is maintained to a nonmagnetic Np compound without a spin and an orbital degree of freedom. Although almost all Np compounds are magnetic, NpGe_3 is one of a few nonmagnetic compounds. The Fermi surface of NpGe_3 was calculated by relativistic hand theory. The calculated results give a quantitative agreement of the observed dHvA frequency branches. Furthermore, if an enhancement factor estimated by an electronic specific heat coefficient is taken into consideration, we can compare quantitatively the theoretical values with the experimental values for cyclotron effective mass.
3.The first observation of a dHvA frequency in a nonmagnetic Pu compound PuIn_3 was successful in the world. The calculated result by a relativistic band theory was able to show an origin of the measured dHvA frequency branch quantitatively. This success suggested that 5 f electrons in nonmagnetic Pu compound also behave as an itinerant electron.

Report

(4 results)
  • 2005 Annual Research Report   Final Research Report Summary
  • 2004 Annual Research Report
  • 2003 Annual Research Report
  • Research Products

    (18 results)

All 2006 2005 Other

All Journal Article (16 results) Publications (2 results)

  • [Journal Article] Electronic Structure and Fermi Surface of NpGe_32006

    • Author(s)
      H.Yamagami
    • Journal Title

      Journal of the Physical Society of Japan 75

    • NAID

      110004086887

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Itinerant U 5f band states in the layered compound UFeGa_5 observed by soft x-ray angle-resolved photoemission spectroscopy2006

    • Author(s)
      S.Fujimori
    • Journal Title

      Physical Review B 73

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Orbital-Polarized band calculation in NpRhGa_5 : Magnetic moment and Fermi Surface2006

    • Author(s)
      H.Yamagami
    • Journal Title

      Physica B (印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Fermi Surface Studies on Np115- and Related Compounds2006

    • Author(s)
      H.Yamagami
    • Journal Title

      Journal of the Physical Society of Japan (印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Orbital-Polarized band calculation in NpRhGa_5 : Magnetic moment and Fermi Surface2006

    • Author(s)
      H.Yamagami
    • Journal Title

      Physica B (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Fermi Surface Studies on Np115- and Related Compounds2006

    • Author(s)
      H.Yamagami
    • Journal Title

      Journal of the Physical Society of Japan (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Electronic Structure and Fermi Surface of NpGe32006

    • Author(s)
      Hiroshi Yamagami
    • Journal Title

      Journal of the Physical Society of Japan 75

      Pages: 24711-24711

    • NAID

      210000106016

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Quasi-two-dimensional Fermi surfaces in the flat antiferromagnetic Brillouin zone of NpRhGa_5 studied by dHvA experiments and energy band calculations2005

    • Author(s)
      D.Aoki
    • Journal Title

      Journal of Physics : Condensed.Matter 17

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Itinerant 5f Electrons and the Fermi Surface Properties in an Enhanced Pauli Paramagnet NpGe_32005

    • Author(s)
      D.Aoki
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2149-2152

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Single Crystal Growth and Fermi Surface Properties of an Antiferromagnet UPdGa_52005

    • Author(s)
      S.Ikeda
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2277-2281

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] First Observation of the de Haas-van Alphen Effect in PuIn_32005

    • Author(s)
      Y.Haga
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2889-2892

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Quasi-two-dimensional Fermi surfaces in the flat antiferromagnetic Brillouin zone of NpRhGa_5 studied by dHvA experiments and energy band calculations2005

    • Author(s)
      D.Aoki
    • Journal Title

      Journal of Physics : Condensed. Matter 17

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Itinerant 5f Electron and the Fermi Surface Properties in an Enhanced Pauli Paramagnet NpGe32005

    • Author(s)
      Dai Aoki
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2149-2153

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Single Crystal Growth and Fermi Surface Properties of Antiferromagnet UPdGa52005

    • Author(s)
      Shugo Ikeda
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2277-2281

    • Related Report
      2005 Annual Research Report
  • [Journal Article] First Observation of de Haas-van Alphen Effect in PuIn32005

    • Author(s)
      Yoshinori Haga
    • Journal Title

      Journal of the Physical Society of Japan 74

      Pages: 2889-2892

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Quasi-two-dimensional Fermi surfaces in the flat antiferromagnetic Brillouin zone of NpRhGa5 studied by the dHvA experiments and energy band2005

    • Author(s)
      D.Aoki
    • Journal Title

      Journal of Physics.: Condensed Matter 17(発行予定)

    • Related Report
      2004 Annual Research Report
  • [Publications] Hiroshi Yamagami: "Magnetism and Fermi surface of UGe2"Journal of Physics : Condensed Matter. 15・28. S2271-S2274 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Yoshichika Onuki: "High-quality single crystal growth and the Fermi surface property of uranium and cerium compounds"Journal of Physics : Condensed Matter. 15・28. S1903-S1909 (2003)

    • Related Report
      2003 Annual Research Report

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Published: 2003-04-01   Modified: 2020-05-15  

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